2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

C10H8N2O4S — CID 1433387

IUPAC2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)c2ccco2)sc1C(=O)O
InChIInChI=1S/C10H8N2O4S/c1-5-7(9(14)15)17-10(11-5)12-8(13)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKeyPTLGOOWEAHEWJQ-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.00
Rot. Bonds3

About 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 1433387) has the molecular formula C10H8N2O4S and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID1433387
Molecular FormulaC10H8N2O4S
Molecular Weight252.25 g/mol
Exact Mass252.02
IUPAC Name2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)c2ccco2)sc1C(=O)O
InChIInChI=1S/C10H8N2O4S/c1-5-7(9(14)15)17-10(11-5)12-8(13)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKeyPTLGOOWEAHEWJQ-UHFFFAOYSA-N
XLogP2.00
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 1433387) is 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(=O)c2ccco2)sc1C(=O)O.
What is the InChIKey of 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is PTLGOOWEAHEWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S/c1-5-7(9(14)15)17-10(11-5)12-8(13)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 252.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 1433387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).